An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3}

The solid solution Sr{sub 1−x}Ba{sub x}MoO{sub 3} (x=0.00, 0.025, 0.050, 0.075, 0.100 and 1.00) has been synthesised. Rietveld refinement of X-ray diffraction data shows that all materials crystallise with cubic (Pm-3m) symmetry and that a miscibility gap exists from x=0.1–1.0. The optical properties of the metallic perovskites Sr{sub 1−x}Ba{sub x}MoO{sub 3} have been investigated by a combination of UV–vis spectroscopy and density functional theory (DFT). Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. The measured band gap is attributed to the electronic transition from the Mo 4d t{sub 2g} band to the e{sub g} band. The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst. - Graphical abstract: Ultraviolet–visible absorbance spectra (converted from diffuse reflectance spectra) for SrMoO{sub 3} and BaMoO{sub 3}. - Highlights: • The solid solution Sr{sub 1-x}Ba{sub x}MoO{sub 3} has been synthesised. • A miscibility gap exists from x=0.1–1.0 in Sr{sub 1−x}Ba{sub x}MoO{sub 3.} • Upon increasing x from 0 to 1 in Sr{sub 1−x}Ba{sub x}MoO{sub 3} there is a reduction in the measured band gap from 2.20 eV to 2.07 eV. • The potential of SrMoO{sub 3} and BaMoO{sub 3} as water-splitting photocatalysts was explored but there was no evidence of hydrogen or oxygen evolution, even with the presence of a Pt co-catalyst.